Precise End‐Group Conjugated‐Site Isomerization of Wing‐Typed Dimeric Acceptors Enables 20.32% Efficiency Organic Solar Cells

L Long Jiang J Jia'nan Hu (State Key Laboratory For Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an China) K Kai Xiang P Pengbo Yang (State Key Laboratory For Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an China) W Wenyan Su K Kun Wang (Beijing National Laboratory for Molecular Science, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering) J Jingwei Xue (State Key Laboratory of Oil and Gas Equipment CNPC Tubular Goods Research Institute Xi'an China) T Tengfei Li (Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom) Y Yirong Li (Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Shanghai Key Laboratory of Functional Materials Chemistry, Frontiers Science Center for Materiobiology and Dynamic Chemistry, Institute of Fine Chemicals, School of Chemistry and Molecular Engineering) D Dandan Zhang H Hairui Bai R Rui Sun H Hongxiang Li (College of Polymer Science and Engineering State Key Laboratory of Polymer Materials Engineering) R Ruijie Ma Z Zefan Yao (College of Chemistry and Molecular Engineering Peking University Beijing China) Q Qiang Tao (Synergetic Extreme Condition High-Pressure Science Center, State Key Laboratory of High Pressure and Superhard Materials, College of Physics) G Guanghao Lu (Frontier Institute of Science and Technology) Y Yuhang Liu (School of Materials Science and Engineering) J Jianhua Chen (Department of Chemical Science and Technology, Yunnan University) W Wei Ma Q Qunping Fan

Abstract

ABSTRACT Molecular isomerization has been proven as an effective strategy to optimize the backbone geometry of photovoltaic materials and improve power‐conversion‐efficiency (PCE) of organic solar cells (OSCs). However, the precise isomerization of dimeric acceptors and their effect on optoelectronic and photovoltaic properties have been rarely studied. Herein, four isomeric wing‐typed dimeric acceptors (named Dimer‐1, Dimer‐2, Dimer‐3, and Dimer‐4) with an alkylated linker are developed to investigate how different conjugated‐sites of end‐groups (methoxy‐substituted EG1 and methoxy‐free EG2) manipulate molecular packing and optoelectronic properties. Among them, Dimer‐2, with two inside EG1 and two outside EG2 groups, show superior molecular packing, crystallinity, and photoluminescence. Therefore, the PM6:Dimer‐2‐based OSC achieves a higher PCE of 15.12% with obviously boosted photovoltage and fill factor, mainly due to its optimized morphology and reduced energy loss. Building on this success, Dimer‐2 is introduced into the classic PM6:BTP‐eC9 and D18:L8‐BO pairs to prepare ternary systems with complementary absorption and favorable vertical phase distribution, leading to impressive PCEs of 20.06% and 20.32%, respectively. Notably, 20.32% efficiency is the highest value among ternary OSCs with non‐fully conjugated dimeric acceptors. This work indicates that the precise isomerization of end‐group conjugated‐sites is a feasible approach to developing high‐performance dimeric acceptors and constructing efficient OSCs.

Article Details

Volume / Issue Vol. 1, Issue 1
Published July 15, 2026
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (21)

L

Long Jiang

J

Jia'nan Hu

State Key Laboratory For Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an China

K

Kai Xiang

P

Pengbo Yang

State Key Laboratory For Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an China

W

Wenyan Su

K

Kun Wang

Beijing National Laboratory for Molecular Science, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering

J

Jingwei Xue

State Key Laboratory of Oil and Gas Equipment CNPC Tubular Goods Research Institute Xi'an China

T

Tengfei Li

Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Y

Yirong Li

Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Shanghai Key Laboratory of Functional Materials Chemistry, Frontiers Science Center for Materiobiology and Dynamic Chemistry, Institute of Fine Chemicals, School of Chemistry and Molecular Engineering

D

Dandan Zhang

H

Hairui Bai

R

Rui Sun

H

Hongxiang Li

College of Polymer Science and Engineering State Key Laboratory of Polymer Materials Engineering

R

Ruijie Ma

Z

Zefan Yao

College of Chemistry and Molecular Engineering Peking University Beijing China

Q

Qiang Tao

Synergetic Extreme Condition High-Pressure Science Center, State Key Laboratory of High Pressure and Superhard Materials, College of Physics

G

Guanghao Lu

Frontier Institute of Science and Technology

Y

Yuhang Liu

School of Materials Science and Engineering

J

Jianhua Chen

Department of Chemical Science and Technology, Yunnan University

W

Wei Ma

Q

Qunping Fan